3-oxo-N-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)-4H-1,4-benzoxazine-7-carboxamide

C20H19N5O4 — CID 131946239

IUPAC3-oxo-N-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)-4H-1,4-benzoxazine-7-carboxamide
SMILESO=C1COc2cc(C(=O)Nc3cc4[nH]c(=O)[nH]c4cc3N3CCCC3)ccc2N1
InChIInChI=1S/C20H19N5O4/c26-18-10-29-17-7-11(3-4-12(17)21-18)19(27)22-15-8-13-14(24-20(28)23-13)9-16(15)25-5-1-2-6-25/h3-4,7-9H,1-2,5-6,10H2,(H,21,26)(H,22,27)(H2,23,24,28)
InChIKeyKDUCXYIOGYGIOO-UHFFFAOYSA-N
MW393.40 g/mol
LogP2.04
Rot. Bonds3

About 3-oxo-N-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)-4H-1,4-benzoxazine-7-carboxamide

3-oxo-N-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)-4H-1,4-benzoxazine-7-carboxamide (PubChem CID 131946239) has the molecular formula C20H19N5O4 and a molecular weight of 393.40 g/mol. Its IUPAC name is 3-oxo-N-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)-4H-1,4-benzoxazine-7-carboxamide.

Molecular Properties

Compound Name3-oxo-N-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)-4H-1,4-benzoxazine-7-carboxamide
PubChem CID131946239
Molecular FormulaC20H19N5O4
Molecular Weight393.40 g/mol
Exact Mass393.14
IUPAC Name3-oxo-N-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)-4H-1,4-benzoxazine-7-carboxamide
SMILESO=C1COc2cc(C(=O)Nc3cc4[nH]c(=O)[nH]c4cc3N3CCCC3)ccc2N1
InChIInChI=1S/C20H19N5O4/c26-18-10-29-17-7-11(3-4-12(17)21-18)19(27)22-15-8-13-14(24-20(28)23-13)9-16(15)25-5-1-2-6-25/h3-4,7-9H,1-2,5-6,10H2,(H,21,26)(H,22,27)(H2,23,24,28)
InChIKeyKDUCXYIOGYGIOO-UHFFFAOYSA-N
XLogP2.04
TPSA119.32 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 52.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)-4-piperidin-1-ylbenzamide
CID 131897591
3-oxo-N-(6-pyrrolidin-1-yl-3-pyridinyl)-4H-1,4-benzoxazine-7-carboxamide
CID 30269288
N-[2-[(4-chlorobenzoyl)amino]phenyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 31966312
3-oxo-N-(1H-pyrazol-5-yl)-4H-1,4-benzoxazine-7-carboxamide
CID 61393673
N-(1H-imidazol-2-yl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 55027632
N-[(2S)-4-methyl-2-pyrrolidin-1-ylpentyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 95155914
N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 55972511
N-[(1-hydroxycyclobutyl)methyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 115643325
N-[(1R,2R)-2-hydroxycyclohexyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 104927714
N-(1-hydroxypropan-2-yl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 43418628
3-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-4H-1,4-benzoxazine-7-carboxamide
CID 30483275
2-methyl-2-[4-[(3-oxo-4H-1,4-benzoxazine-7-carbonyl)amino]pyrazol-1-yl]propanoic acid
CID 120696194

Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)-4H-1,4-benzoxazine-7-carboxamide?
The IUPAC name of 3-oxo-N-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)-4H-1,4-benzoxazine-7-carboxamide (CID 131946239) is 3-oxo-N-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)-4H-1,4-benzoxazine-7-carboxamide.
What is the SMILES notation for 3-oxo-N-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)-4H-1,4-benzoxazine-7-carboxamide?
The canonical SMILES for 3-oxo-N-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)-4H-1,4-benzoxazine-7-carboxamide is O=C1COc2cc(C(=O)Nc3cc4[nH]c(=O)[nH]c4cc3N3CCCC3)ccc2N1.
What is the InChIKey of 3-oxo-N-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)-4H-1,4-benzoxazine-7-carboxamide?
The InChIKey is KDUCXYIOGYGIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O4/c26-18-10-29-17-7-11(3-4-12(17)21-18)19(27)22-15-8-13-14(24-20(28)23-13)9-16(15)25-5-1-2-6-25/h3-4,7-9H,1-2,5-6,10H2,(H,21,26)(H,22,27)(H2,23,24,28).
What are the key properties of 3-oxo-N-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)-4H-1,4-benzoxazine-7-carboxamide?
3-oxo-N-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)-4H-1,4-benzoxazine-7-carboxamide has a molecular weight of 393.40 g/mol, XLogP of 2.04, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)-4H-1,4-benzoxazine-7-carboxamide is sourced from PubChem (CID 131946239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).